N-[(3R)-3-hydroxypentyl]-2-[1-(1-methylpiperidin-4-yl)-2-oxopiperidin-3-yl]acetamide

C18H33N3O3 — CID 163790814

IUPACN-[(3R)-3-hydroxypentyl]-2-[1-(1-methylpiperidin-4-yl)-2-oxopiperidin-3-yl]acetamide
SMILESCC[C@@H](O)CCNC(=O)CC1CCCN(C2CCN(C)CC2)C1=O
InChIInChI=1S/C18H33N3O3/c1-3-16(22)6-9-19-17(23)13-14-5-4-10-21(18(14)24)15-7-11-20(2)12-8-15/h14-16,22H,3-13H2,1-2H3,(H,19,23)/t14?,16-/m1/s1
InChIKeyMWOGHCJJQKQRGZ-BZSJEYESSA-N
MW339.48 g/mol
LogP0.99
Rot. Bonds7

About N-[(3R)-3-hydroxypentyl]-2-[1-(1-methylpiperidin-4-yl)-2-oxopiperidin-3-yl]acetamide

N-[(3R)-3-hydroxypentyl]-2-[1-(1-methylpiperidin-4-yl)-2-oxopiperidin-3-yl]acetamide (PubChem CID 163790814) has the molecular formula C18H33N3O3 and a molecular weight of 339.48 g/mol. Its IUPAC name is N-[(3R)-3-hydroxypentyl]-2-[1-(1-methylpiperidin-4-yl)-2-oxopiperidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3R)-3-hydroxypentyl]-2-[1-(1-methylpiperidin-4-yl)-2-oxopiperidin-3-yl]acetamide
PubChem CID163790814
Molecular FormulaC18H33N3O3
Molecular Weight339.48 g/mol
Exact Mass339.25
IUPAC NameN-[(3R)-3-hydroxypentyl]-2-[1-(1-methylpiperidin-4-yl)-2-oxopiperidin-3-yl]acetamide
SMILESCC[C@@H](O)CCNC(=O)CC1CCCN(C2CCN(C)CC2)C1=O
InChIInChI=1S/C18H33N3O3/c1-3-16(22)6-9-19-17(23)13-14-5-4-10-21(18(14)24)15-7-11-20(2)12-8-15/h14-16,22H,3-13H2,1-2H3,(H,19,23)/t14?,16-/m1/s1
InChIKeyMWOGHCJJQKQRGZ-BZSJEYESSA-N
XLogP0.99
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(3R)-3-hydroxypentyl]-2-[1-(1-methylpiperidin-4-yl)-2-oxopiperidin-3-yl]acetamide with MolForge

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Related Compounds

[(4S)-azepan-4-yl]-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone
CID 171359256
(4-Hydroxy-1-piperidyl)(3-piperidyl)methanone
CID 17998933
3-[2-(4-Hydroxypiperidin-1-yl)-2-oxoethyl]-1-(1-methylpiperidin-4-yl)piperidin-2-one
CID 20590488
N-methyl-2-[2-oxo-1-(1-propylpiperidin-4-yl)piperidin-3-yl]acetamide
CID 53643995
3-[2-(3-Hydroxyazetidin-1-yl)-2-oxoethyl]-1-piperidin-4-ylpiperidin-2-one
CID 53801312
2-[1-[(1-acetylpiperidin-4-yl)methyl]-2-oxopiperidin-3-yl]-N-(2-hydroxyethyl)acetamide
CID 54158221
2-[1-(1-acetylpiperidin-4-yl)-2-oxopiperidin-3-yl]-N-(2-hydroxyethyl)acetamide
CID 54245204
1-(1-Acetylpiperidin-4-yl)-3-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]piperidin-2-one
CID 54312875
3-[2-(4-Hydroxypiperidin-1-yl)-2-oxoethyl]-1-piperidin-4-ylpiperidin-2-one
CID 54394444
N-(2-hydroxyethyl)-2-(2-oxo-1-piperidin-4-ylpiperidin-3-yl)acetamide
CID 54434181
1-[4-Amino-3-[2-(4-hydroxypiperidin-1-yl)propyl]piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 138656785
N-(2-hydroxyethyl)-2-[1-(1-methylpiperidin-4-yl)-2-oxopiperidin-3-yl]acetamide
CID 141952767

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-3-hydroxypentyl]-2-[1-(1-methylpiperidin-4-yl)-2-oxopiperidin-3-yl]acetamide?
The IUPAC name of N-[(3R)-3-hydroxypentyl]-2-[1-(1-methylpiperidin-4-yl)-2-oxopiperidin-3-yl]acetamide (CID 163790814) is N-[(3R)-3-hydroxypentyl]-2-[1-(1-methylpiperidin-4-yl)-2-oxopiperidin-3-yl]acetamide.
What is the SMILES notation for N-[(3R)-3-hydroxypentyl]-2-[1-(1-methylpiperidin-4-yl)-2-oxopiperidin-3-yl]acetamide?
The canonical SMILES for N-[(3R)-3-hydroxypentyl]-2-[1-(1-methylpiperidin-4-yl)-2-oxopiperidin-3-yl]acetamide is CC[C@@H](O)CCNC(=O)CC1CCCN(C2CCN(C)CC2)C1=O.
What is the InChIKey of N-[(3R)-3-hydroxypentyl]-2-[1-(1-methylpiperidin-4-yl)-2-oxopiperidin-3-yl]acetamide?
The InChIKey is MWOGHCJJQKQRGZ-BZSJEYESSA-N. The full InChI is InChI=1S/C18H33N3O3/c1-3-16(22)6-9-19-17(23)13-14-5-4-10-21(18(14)24)15-7-11-20(2)12-8-15/h14-16,22H,3-13H2,1-2H3,(H,19,23)/t14?,16-/m1/s1.
What are the key properties of N-[(3R)-3-hydroxypentyl]-2-[1-(1-methylpiperidin-4-yl)-2-oxopiperidin-3-yl]acetamide?
N-[(3R)-3-hydroxypentyl]-2-[1-(1-methylpiperidin-4-yl)-2-oxopiperidin-3-yl]acetamide has a molecular weight of 339.48 g/mol, XLogP of 0.99, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-3-hydroxypentyl]-2-[1-(1-methylpiperidin-4-yl)-2-oxopiperidin-3-yl]acetamide is sourced from PubChem (CID 163790814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).